| SpectraBase Compound ID | JXNSu9X41lP |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20?,21-,22?,23?,24?,25?,26?,27+,28?,31?,32+,33+,34?,35-,36-/m1/s1 |
| InChIKey | AWFZJSUJFSUBQU-YXOANIQFSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | He636tYGXiB |
|---|---|
| Name | Ilexsaponin-A1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20?,21-,22?,23?,24?,25?,26?,27+,28?,31?,32+,33+,34?,35-,36-/m1/s1 |
| InChIKey | AWFZJSUJFSUBQU-YXOANIQFSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 26, 2023 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |